Geometry & MOs

Info

ID:

49533

PubChem CID:

11533195

Reduced:

O2F3N4C26H29 (1)

Stoich.:

A2B3C4D26E29 (1)

Weight, g/mol:

486.193691

ΔHf, kcal/mol:

-181.87

Dipole, Da:

4.87

IP(EA), eV:

 -8.91(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[[[2-(1,1-dioxothiazinan-2-yl)phenyl]methylamino]-hydroxymethylidene]spiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclopentane]-3,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)N[C@H](CO)C2=CC=CC=C2)CC3=CN(C=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations